AB65052
16681-70-2 | 1H-1,2,3-Triazole-5-carboxylic acid
Manufacturer: A2B Chem
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CatalogNumber
AB65052
ChemicalName
1H-1,2,3-Triazole-5-carboxylic acid
CasNumber
16681-70-2
MolecularFormula
C3H3N3O2
MolecularWeight
113.07481999999999
MdlNumber
MFCD00039676
Smiles
OC(=O)c1cnn[nH]1
NscNumber
77700
Complexity
105
Covalently-bondedUnitCount
1
HeavyAtomCount
8
HydrogenBondAcceptorCount
4
HydrogenBondDonorCount
2
RotatableBondCount
1
Xlogp3
-0.5
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CatalogNumber: AB65052
ChemicalName: 1H-1,2,3-Triazole-5-carboxylic acid
CasNumber: 16681-70-2
MolecularFormula: C3H3N3O2
MolecularWeight: 113.07481999999999
MdlNumber: MFCD00039676
Smiles: OC(=O)c1cnn[nH]1
NscNumber: 77700
Complexity: 105
Covalently-bondedUnitCount: 1
HeavyAtomCount: 8
HydrogenBondAcceptorCount: 4
HydrogenBondDonorCount: 2
RotatableBondCount: 1
Xlogp3: -0.5
CatalogNumber:
AB65052
ChemicalName:
1H-1,2,3-Triazole-5-carboxylic acid
CasNumber:
16681-70-2
MolecularFormula:
C3H3N3O2
MolecularWeight:
113.07481999999999
MdlNumber:
MFCD00039676
Smiles:
OC(=O)c1cnn[nH]1
NscNumber:
77700
Complexity:
105
Covalently-bondedUnitCount:
1
HeavyAtomCount:
8
HydrogenBondAcceptorCount:
4
HydrogenBondDonorCount:
2
RotatableBondCount:
1
Xlogp3:
-0.5
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Smiles: O=C(C(C(C(F)(F)F)(F)F)(F)F)C1C(=O)[C@]2(C([C@@H]1CC2)(C)C)C
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Smiles:
O=C(C(C(C(F)(F)F)(F)F)(F)F)C1C(=O)[C@]2(C([C@@H]1CC2)(C)C)C
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Smiles: CCCCC(=O)CC
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Smiles:
CCCCC(=O)CC
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Smiles: CCCC=CCCO
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ChemicalName:
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CasNumber:
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MolecularFormula:
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Smiles:
CCCC=CCCO
NscNumber:
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Complexity:
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Covalently-bondedUnitCount:
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HeavyAtomCount:
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HydrogenBondAcceptorCount:
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HydrogenBondDonorCount:
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RotatableBondCount:
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Xlogp3:
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